Ac-AARKSAPY-NH2 | SBID = 1178 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 9
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 14.0
Number of H-Bond Acceptors: 13.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C40H65N13O11
M / g/mol: 904.024600000001
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, amino acid
  • Name: Ac-AARKSAPY-NH2
  • Preferred Abbreviation: AARKSAPY
  • IUPAC Name:
  • CAS:
  • CID: -376
  • InChiKey: KRLPMWSEXDOEDH-UHFFFAOYSA-N
  • InChi: InChI=1S/C40H65N13O11/c1-21(46-24(4)55)33(58)47-22(2)34(59)49-28(10-7-17-45-40(43)44)35(60)50-27(9-5-6-16-41)36(61)52-30(20-54)37(62)48-23(3)39(64)53-18-8-11-31(53)38(63)51-29(32(42)57)19-25-12-14-26(56)15-13-25/h12-15,21-23,27-31,54,56H,5-11,16-20,41H2,1-4H3,(H2,42,57)(H,46,55)(H,47,58)(H,48,62)(H,49,59)(H,50,60)(H,51,63)(H,52,61)(H4,43,44,45)
  • CanoSmiles: NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)Cc1ccc(cc1)O)C)CO)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C)C)CCCNC(=N)N
  • IsoSmiles: CC(C(NC(C)C(NC(CCCNC(N)=N)C(NC(CCCCN)C(NC(CO)C(NC(C)C(N(CCC1)C1C(NC(CC2=CC=C(O)C=C2)C(N)=O)=O)=O)=O)=O)=O)=O)=O)NC(C)=O